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Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
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Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins

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DFT and docking analysis of stability, conformational dynamics, and interaction behavior in linear C6 triketo and

Atiyeh Kolouei1,2, Hamid Najarzadekan3, Mohammad Barati1

  • 1Department of Applied Chemistry, Faculty of Chemistry, University of Kashan, Kashan, Iran.

Scientific Reports
|June 24, 2026
PubMed

Keywords:
Computational modelingConformational analysisDFTMolecular dockingTriketo compounds

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